Molecular Docking, Antibacterial and Antioxidant Activities of Compounds Isolated from Ethiopian Plants

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dc.contributor.authorMelaku, Yadessa
dc.contributor.authorGetahun, Tokuma
dc.contributor.authorAddisu, Markos
dc.contributor.authorTesso, Hailemichael
dc.contributor.authorEswaramoorthy, Rajalakshmanan
dc.contributor.authorGarg, Ankita
dc.date.accessioned2025-01-06T17:22:51Z
dc.date.available2025-01-06T17:22:51Z
dc.date.issued2022
dc.departmentAdana Alparslan Türkeş Bilim ve Teknoloji Üniversitesi
dc.description.abstractThis study evaluated the antibacterial and antioxidant activities of the constituents of L. tomentosa and S. longipedunculata. The in-silico molecular docking analysis of the isolated compounds was also reported herein for the first time. The GC-MS analysis of the essential oil of L. tomentosa led to the identification of eleven components with 2,5-dimethoxy-p-cymene identified as the principal constituent (59.39%). Lauric acid (1), ?-stigmasterol (2), chrysophanol (3), and emodin (4) were isolated from L. tomentosa using silica gel column chromatography. Likewise, 9H-xanthene-3,5-diol (5), 1,7- dihydroxy-4-methoxyxanthone (6), and oleic acid (7) were isolated from S. longipedunculata. The structures of the isolated compounds were elucidated using UV-Vis, IR, and NMR spectroscopic methods. Compounds 3 and 4 are new to the genus Laggera, while 5 and 6 are new to the species S. longipedunculata. Compounds 3-6 inhibited DPPH radical by 86, 92, 88, and 90%, respectively. Compounds 5 and 6 inhibited 79.2 and 81.9% peroxide formation, respectively. The antioxidant activities displayed by compounds 4- 6 suggest their use as a natural antioxidant. Compounds 4 and 6 inhibited the growth of bacteria by 18.00±0.10 and 16.06±0.22 mm, respectively. Compounds 3, 4, and 6 showed binding affinities of ?10.4, ?10.4, and ?9.9 kcal/mol against Staphylococcus aureus DNA Gyrase, respectively, while 4 showed ?10.4 kcal/mol against human topoisomerase II?. Therefore, the present study results showed that emodin and 1,7-dihydroxy-4- methoxyxanthone might be considered lead compounds for further development as antibacterial and anti-cancer agents. The findings also substantiate the traditional use of these plants against bacteria.
dc.identifier.doi10.21448/ijsm.1023864
dc.identifier.endpage228
dc.identifier.issn2148-6905
dc.identifier.issue2
dc.identifier.startpage208
dc.identifier.trdizinid1148736
dc.identifier.urihttps://doi.org/10.21448/ijsm.1023864
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1148736
dc.identifier.urihttps://hdl.handle.net/20.500.14669/501
dc.identifier.volume9
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofInternational Journal of Secondary Metabolite
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241211
dc.subjectAntioxidant
dc.subjectAntibacterial
dc.subjectPhytochemicals
dc.subjectL. tomentosa
dc.subjectS. longipedunculata
dc.titleMolecular Docking, Antibacterial and Antioxidant Activities of Compounds Isolated from Ethiopian Plants
dc.typeArticle

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